Deploying AI Frameworks on Secure HPC Systems with Containers

The increasing interest in the usage of Artificial Intelligence techniques (AI) from the research community and industry to tackle "real world" problems, requires High Performance Computing (HPC) resources to efficiently compute and scale complex algorithms across thousands of nodes. Unfortunately, typical data scientists are not familiar with the unique requirements and characteristics of HPC environments. They usually develop their applications with high-level scripting languages or frameworks such as TensorFlow and the installation process often requires connection to external systems to download open source software during the build. HPC environments, on the other hand, are often based on closed source applications that incorporate parallel and distributed computing API's such as MPI and OpenMP, while users have restricted administrator privileges, and face security restrictions such as not allowing access to external systems. In this paper we discuss the issues associated with the deployment of AI frameworks in a secure HPC environment and how we successfully deploy AI frameworks on SuperMUC-NG with Charliecloud.Comment: 6 pages, 2 figures, 2019 IEEE High Performance Extreme Computing Conferenc

Conditional Progressive Generative Adversarial Network for satellite image generation

Image generation and image completion are rapidly evolving fields, thanks to machine learning algorithms that are able to realistically replace missing pixels. However, generating large high resolution images, with a large level of details, presents important computational challenges. In this work, we formulate the image generation task as completion of an image where one out of three corners is missing. We then extend this approach to iteratively build larger images with the same level of detail. Our goal is to obtain a scalable methodology to generate high resolution samples typically found in satellite imagery data sets. We introduce a conditional progressive Generative Adversarial Networks (GAN), that generates the missing tile in an image, using as input three initial adjacent tiles encoded in a latent vector by a Wasserstein auto-encoder. We focus on a set of images used by the United Nations Satellite Centre (UNOSAT) to train flood detection tools, and validate the quality of synthetic images in a realistic setup.Comment: Published at the SyntheticData4ML Neurips worksho

Validation of Deep Convolutional Generative Adversarial Networks for High Energy Physics Calorimeter Simulations

In particle physics the simulation of particle transport through detectors requires an enormous amount of computational resources, utilizing more than 50% of the resources of the CERN Worldwide Large Hadron Collider Grid. This challenge has motivated the investigation of different, faster approaches for replacing the standard Monte Carlo simulations. Deep Learning Generative Adversarial Networks are among the most promising alternatives. Previous studies showed that they achieve the necessary level of accuracy while decreasing the simulation time by orders of magnitudes. In this paper we present a newly developed neural network architecture which reproduces a three-dimensional problem employing 2D convolutional layers and we compare its performance with an earlier architecture consisting of 3D convolutional layers. The performance evaluation relies on direct comparison to Monte Carlo simulations, in terms of different physics quantities usually employed to quantify the detector response. We prove that our new neural network architecture reaches a higher level of accuracy with respect to the 3D convolutional GAN while reducing the necessary computational resources. Calorimeters are among the most expensive detectors in terms of simulation time. Therefore we focus our study on an electromagnetic calorimeter prototype with a regular highly granular geometry, as an example of future calorimeters.Comment: AAAI-MLPS 2021 Spring Symposium at Stanford Universit

Convolutional LSTM models to estimate network traffic

Network utilisation efficiency can, at least in principle, often be improved by dynamically re-configuring routing policies to better distribute on-going large data transfers. Unfortunately, the information necessary to decide on an appropriate reconfiguration - details of on-going and upcoming data transfers such as their source and destination and, most importantly, their volume and duration - is usually lacking. Fortunately, the increased use of scheduled transfer services, such as FTS, makes it possible to collect the necessary information. However, the mere detection and characterisation of larger transfers is not sufficient to predict with confidence the likelihood a network link will become overloaded. In this paper we present the use of LSTM-based models (CNN-LSTM and Conv-LSTM) to effectively estimate future network traffic and so provide a solid basis for formulating a sensible network configuration plan.Comment: vCHEP2021 conference proceeding

Precise Image Generation on Current Noisy Quantum Computing Devices

The Quantum Angle Generator (QAG) is a new full Quantum Machine Learning model designed to generate accurate images on current Noise Intermediate Scale (NISQ) Quantum devices. Variational quantum circuits form the core of the QAG model, and various circuit architectures are evaluated. In combination with the so-called MERA-upsampling architecture, the QAG model achieves excellent results, which are analyzed and evaluated in detail. To our knowledge, this is the first time that a quantum model has achieved such accurate results. To explore the robustness of the model to noise, an extensive quantum noise study is performed. In this paper, it is demonstrated that the model trained on a physical quantum device learns the noise characteristics of the hardware and generates outstanding results. It is verified that even a quantum hardware machine calibration change during training of up to 8% can be well tolerated. For demonstration, the model is employed in indispensable simulations in high energy physics required to measure particle energies and, ultimately, to discover unknown particles at the Large Hadron Collider at CERN

Resource Saving via Ensemble Techniques for Quantum Neural Networks

Quantum neural networks hold significant promise for numerous applications, particularly as they can be executed on the current generation of quantum hardware. However, due to limited qubits or hardware noise, conducting large-scale experiments often requires significant resources. Moreover, the output of the model is susceptible to corruption by quantum hardware noise. To address this issue, we propose the use of ensemble techniques, which involve constructing a single machine learning model based on multiple instances of quantum neural networks. In particular, we implement bagging and AdaBoost techniques, with different data loading configurations, and evaluate their performance on both synthetic and real-world classification and regression tasks. To assess the potential performance improvement under different environments, we conduct experiments on both simulated, noiseless software and IBM superconducting-based QPUs, suggesting these techniques can mitigate the quantum hardware noise. Additionally, we quantify the amount of resources saved using these ensemble techniques. Our findings indicate that these methods enable the construction of large, powerful models even on relatively small quantum devices.Comment: Extended paper of the work presented at QTML 2022. Close to published versio

Quantum Machine Learning in High Energy Physics

Machine learning has been used in high energy physics since a long time, primarily at the analysis level with supervised classification. Quantum computing was postulated in the early 1980s as way to perform computations that would not be tractable with a classical computer. With the advent of noisy intermediate-scale quantum computing devices, more quantum algorithms are being developed with the aim at exploiting the capacity of the hardware for machine learning applications. An interesting question is whether there are ways to combine quantum machine learning with High Energy Physics. This paper reviews the first generation of ideas that use quantum machine learning on problems in high energy physics and provide an outlook on future applications.Comment: 25 pages, 9 figures, submitted to Machine Learning: Science and Technology, Focus on Machine Learning for Fundamental Physics collectio

Reduced Precision Strategies for Deep Learning: A High Energy Physics Generative Adversarial Network Use Case

Deep learning is finding its way into high energy physics by replacing traditional Monte Carlo simulations. However, deep learning still requires an excessive amount of computational resources. A promising approach to make deep learning more efficient is to quantize the parameters of the neural networks to reduced precision. Reduced precision computing is extensively used in modern deep learning and results to lower execution inference time, smaller memory footprint and less memory bandwidth. In this paper we analyse the effects of low precision inference on a complex deep generative adversarial network model. The use case which we are addressing is calorimeter detector simulations of subatomic particle interactions in accelerator based high energy physics. We employ the novel Intel low precision optimization tool (iLoT) for quantization and compare the results to the quantized model from TensorFlow Lite. In the performance benchmark we gain a speed-up of 1.73x on Intel hardware for the quantized iLoT model compared to the initial, not quantized, model. With different physics-inspired self-developed metrics, we validate that the quantized iLoT model shows a lower loss of physical accuracy in comparison to the TensorFlow Lite model.Comment: Submitted at ICPRAM 2021; from CERN openlab - Intel collaboratio

Hybrid actor-critic algorithm for quantum reinforcement learning at CERN beam lines

Free energy-based reinforcement learning (FERL) with clamped quantum Boltzmann machines (QBM) was shown to significantly improve the learning efficiency compared to classical Q-learning with the restriction, however, to discrete state-action space environments. In this paper, the FERL approach is extended to multi-dimensional continuous state-action space environments to open the doors for a broader range of real-world applications. First, free energy-based Q-learning is studied for discrete action spaces, but continuous state spaces and the impact of experience replay on sample efficiency is assessed. In a second step, a hybrid actor-critic scheme for continuous state-action spaces is developed based on the Deep Deterministic Policy Gradient algorithm combining a classical actor network with a QBM-based critic. The results obtained with quantum annealing, both simulated and with D-Wave quantum annealing hardware, are discussed, and the performance is compared to classical reinforcement learning methods. The environments used throughout represent existing particle accelerator beam lines at the European Organisation for Nuclear Research (CERN). Among others, the hybrid actor-critic agent is evaluated on the actual electron beam line of the Advanced Plasma Wakefield Experiment (AWAKE).Comment: 17 pages, 15 figures, to be submitted to "Quantum" journa